13SB
PanDDA analysis group deposition -- IDOL RING domain in complex with Z1456069604
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-02-12 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92203 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.620, 48.116, 70.944 |
| Unit cell angles | 90.00, 90.80, 90.00 |
Refinement procedure
| Resolution | 21.370 - 1.480 |
| R-factor | 0.1859 |
| Rwork | 0.184 |
| R-free | 0.21760 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 9sa2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.950 | 70.950 | 1.510 |
| High resolution limit [Å] | 1.480 | 8.110 | 1.480 |
| Rmerge | 0.166 | 0.090 | 2.708 |
| Rmeas | 0.181 | 0.099 | 3.033 |
| Rpim | 0.070 | 0.041 | 1.341 |
| Total number of observations | 330023 | ||
| Number of reflections | 50259 | 1931 | 12100 |
| <I/σ(I)> | 7.1 | 39.6 | 0.4 |
| Completeness [%] | 99.9 | 99.8 | 97.5 |
| Redundancy | 6.6 | 5.7 | 5 |
| CC(1/2) | 0.992 | 0.974 | 0.185 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 200 mM Sodium acetate, 100 mM Tris, 30% w/v PEG 4000 |
